2-(4-aminophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]acetamide;dihydrochloride

C16H23Cl2N3OS — CID 119875296

IUPAC2-(4-aminophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]acetamide;dihydrochloride
SMILESCc1csc(CCCCNC(=O)Cc2ccc(N)cc2)n1.Cl.Cl
InChIInChI=1S/C16H21N3OS.2ClH/c1-12-11-21-16(19-12)4-2-3-9-18-15(20)10-13-5-7-14(17)8-6-13;;/h5-8,11H,2-4,9-10,17H2,1H3,(H,18,20);2*1H
InChIKeyHCRGGBSWJTYSLN-UHFFFAOYSA-N
MW376.35 g/mol
LogP3.56
Rot. Bonds7

About 2-(4-aminophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]acetamide;dihydrochloride

2-(4-aminophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]acetamide;dihydrochloride (PubChem CID 119875296) has the molecular formula C16H23Cl2N3OS and a molecular weight of 376.35 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]acetamide;dihydrochloride
PubChem CID119875296
Molecular FormulaC16H23Cl2N3OS
Molecular Weight376.35 g/mol
Exact Mass375.09
IUPAC Name2-(4-aminophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]acetamide;dihydrochloride
SMILESCc1csc(CCCCNC(=O)Cc2ccc(N)cc2)n1.Cl.Cl
InChIInChI=1S/C16H21N3OS.2ClH/c1-12-11-21-16(19-12)4-2-3-9-18-15(20)10-13-5-7-14(17)8-6-13;;/h5-8,11H,2-4,9-10,17H2,1H3,(H,18,20);2*1H
InChIKeyHCRGGBSWJTYSLN-UHFFFAOYSA-N
XLogP3.56
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.35
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]benzamide
CID 119875329
2-(4-aminophenyl)-2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide
CID 110451544
2-(2-aminoethyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-1,3-thiazole-4-carboxamide
CID 120646096
4-(aminomethyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
CID 82546122
2-(2-aminophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 63238856
N-hexyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110484487
2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110436537
2-(furan-2-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
CID 110484644
N-butyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110484403
2-(4-aminophenyl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide;dihydrochloride
CID 119891738
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 63240016
N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pent-3-enamide
CID 171145739

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]acetamide;dihydrochloride?
The IUPAC name of 2-(4-aminophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]acetamide;dihydrochloride (CID 119875296) is 2-(4-aminophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]acetamide;dihydrochloride is Cc1csc(CCCCNC(=O)Cc2ccc(N)cc2)n1.Cl.Cl.
What is the InChIKey of 2-(4-aminophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]acetamide;dihydrochloride?
The InChIKey is HCRGGBSWJTYSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS.2ClH/c1-12-11-21-16(19-12)4-2-3-9-18-15(20)10-13-5-7-14(17)8-6-13;;/h5-8,11H,2-4,9-10,17H2,1H3,(H,18,20);2*1H.
What are the key properties of 2-(4-aminophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]acetamide;dihydrochloride?
2-(4-aminophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]acetamide;dihydrochloride has a molecular weight of 376.35 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]acetamide;dihydrochloride is sourced from PubChem (CID 119875296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).